(4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one

C13H21NO2 — CID 10242698

IUPAC(4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1OC(=O)N[C@H]1CC1CCCCC1
InChIInChI=1S/C13H21NO2/c1-2-6-12-11(14-13(15)16-12)9-10-7-4-3-5-8-10/h2,10-12H,1,3-9H2,(H,14,15)/t11-,12-/m0/s1
InChIKeyYLAFWBPVIWJDPH-RYUDHWBXSA-N
MW223.32 g/mol
LogP3.01
Rot. Bonds4

About (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one

(4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 10242698) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID10242698
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1OC(=O)N[C@H]1CC1CCCCC1
InChIInChI=1S/C13H21NO2/c1-2-6-12-11(14-13(15)16-12)9-10-7-4-3-5-8-10/h2,10-12H,1,3-9H2,(H,14,15)/t11-,12-/m0/s1
InChIKeyYLAFWBPVIWJDPH-RYUDHWBXSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one (CID 10242698) is (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@@H]1OC(=O)N[C@H]1CC1CCCCC1.
What is the InChIKey of (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is YLAFWBPVIWJDPH-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-6-12-11(14-13(15)16-12)9-10-7-4-3-5-8-10/h2,10-12H,1,3-9H2,(H,14,15)/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
(4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10242698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).